1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea

C18H21Cl2N3O4S — CID 2963637

IUPAC1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H21Cl2N3O4S/c1-4-23(5-2)28(25,26)13-7-9-17(27-3)16(11-13)22-18(24)21-12-6-8-14(19)15(20)10-12/h6-11H,4-5H2,1-3H3,(H2,21,22,24)
InChIKeyJHKQPVBDHUNJJY-UHFFFAOYSA-N
MW446.36 g/mol
LogP4.68
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea

1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea (PubChem CID 2963637) has the molecular formula C18H21Cl2N3O4S and a molecular weight of 446.36 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea
PubChem CID2963637
Molecular FormulaC18H21Cl2N3O4S
Molecular Weight446.36 g/mol
Exact Mass445.06
IUPAC Name1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H21Cl2N3O4S/c1-4-23(5-2)28(25,26)13-7-9-17(27-3)16(11-13)22-18(24)21-12-6-8-14(19)15(20)10-12/h6-11H,4-5H2,1-3H3,(H2,21,22,24)
InChIKeyJHKQPVBDHUNJJY-UHFFFAOYSA-N
XLogP4.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.36
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea
CID 4839383
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
2-(2,5-dichloroanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24510593
2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 3593320
N-(3,4-dichlorophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3994526
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851
5-chloro-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 55343210
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea (CID 2963637) is 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea?
The InChIKey is JHKQPVBDHUNJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O4S/c1-4-23(5-2)28(25,26)13-7-9-17(27-3)16(11-13)22-18(24)21-12-6-8-14(19)15(20)10-12/h6-11H,4-5H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea?
1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea has a molecular weight of 446.36 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-methoxyphenyl]urea is sourced from PubChem (CID 2963637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).